Basic information
- CAS
52200-20-1- Standard SMILES
CN(C)C=C(C#N)C(=O)c1cccc2ccccc12- InChIKey
KVFHVEAEKGPARU-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Names & identifiers
- Preferred name
- 2-(1-Naphthoyl)-3-(dimethylamino)acrylonitrile
- IUPAC
- 3-(dimethylamino)-2-(naphthalene-1-carbonyl)prop-2-enenitrile
- English name
- 2-[(Dimethylamino)methylene]-3-(1-naphthyl)-3-oxo-propanenitrile
- Molecular formula
- C16H14N2O
- Molecular weight
- 250.3
Names & synonyms
52200-20-12-(1-Naphthoyl)-3-(dimethylamino)acrylonitrileMFCD034531062-[(Dimethylamino)methylene]-3-(1-naphthyl)-3-oxo-propanenitrile3-(dimethylamino)-2-(naphthalene-1-carbonyl)prop-2-enenitrile(E)-2-(1-naphthoyl)-3-(dimethylamino)acrylonitrileDTXSID801178713(E)-3-(dimethylamino)-2-(naphthalene-1-carbonyl)prop-2-enenitrileAB93274DB-001759I+/--[(Dimethylamino)methylene]-I(2)-oxo-1-naphthalenepropanenitrileZinc02507528
Show more names
2-[(Dimethylamino)methylene]-3-(naphth-1-yl)-3-oxopropanenitrile3-(dimethylamino)-2-[1-naphthalenyl(oxo)methyl]-2-propenenitrile1-Naphthalenepropanenitrile, α-[(dimethylamino)methylene]-β-oxo-2-[(Dimethylamino)methylene]-3-(naphth-1-yl)-3-oxopropanenitrile95%2-[(Dimethylamino)methylene]-3-(naphth-1-yl)-3-oxopropanenitrile 95%2-[(DIMETHYLAMINO)METHYLENE]-3-(1-NAPHTHYL)-3-OXO-PROPANENITRILE, 95+%
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 488.951 · 488.951±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.208 · 1.208±0.70(predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2926907090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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